User Tools

Site Tools


vsoft:jmol

This is an old revision of the document!


Table of Contents

Visualization: Jmol

Basics

See help here

Console

- Set up measure

  • set measurementNumbers OFF # remove measure label (https://chemapps.stolaf.edu/jmol/docs/#measure)
  • font measure 22 # size
  • set measurementUnits ANGSTROMS
  • set measureAllModels OFF # several models
  • set measurementLabels = false
  • set measure 4 # thickness
  1. How to show polyhedra?
  • polyhedra 3. (cobalt) to (oxygen) TRANSLUCENT ; polyhedra edges ;
  1. How to turn off info about unit cell?
  • set displayCellParameters False
  • set labelfront
  • label %a - show atom type and number from 0 for cif, %i - just number from 1, %e - only atom types, %D - 0based index
  • color label black
  • font label 15
  1. Setup axes
  • set axes 10 # thickness
  • axes scale 2.0 # length
  • font axes 26
  • color axes red
  1. Spin
  • Vectors scale 3 #length
  • Vectors 3 # thickness
  1. convert to gif
  • ffmpeg -framerate 60 -pattern_type glob -i '*.png' -r 15 -vf scale=512:-1 out.gif
  • ffmpeg -pattern_type glob -i '*.png' -vf scale=“'if(gt(a,640/480),640,-1)':'if(gt(a,640/480),-1,480)':eval=frame,pad=640:480:(ow-iw)/2:(oh-ih)/2:white” output.gif #to save proportions
  • convert *png mov.gif
  • convert -delay 10 *png mov.gif
  1. Other
  • set frank off # turn off jmol logo
  • color atoms TRANSLUCENT
  1. Ball and sticks
  • spacefill 20%;wireframe 0.15

Literature: How to Use Jmol to Study and Present Molecular Structures, Volume 1 By Angel Herráez

vsoft/jmol.1714115748.txt.gz · Last modified: 2024/04/26 10:15 by a.boev

Donate Powered by PHP Valid HTML5 Valid CSS Driven by DokuWiki